1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene

C14H19I — CID 142038561

IUPAC1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccc(C(C)(C)C)c(CI)c1
InChIInChI=1S/C14H19I/c1-5-6-11-7-8-13(14(2,3)4)12(9-11)10-15/h5-9H,10H2,1-4H3/b6-5-
InChIKeySILRGJICHLQHDG-WAYWQWQTSA-N
MW314.21 g/mol
LogP4.95
Rot. Bonds2

About 1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene

1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene (PubChem CID 142038561) has the molecular formula C14H19I and a molecular weight of 314.21 g/mol. Its IUPAC name is 1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene
PubChem CID142038561
Molecular FormulaC14H19I
Molecular Weight314.21 g/mol
Exact Mass314.05
IUPAC Name1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccc(C(C)(C)C)c(CI)c1
InChIInChI=1S/C14H19I/c1-5-6-11-7-8-13(14(2,3)4)12(9-11)10-15/h5-9H,10H2,1-4H3/b6-5-
InChIKeySILRGJICHLQHDG-WAYWQWQTSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene (CID 142038561) is 1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene is C/C=C\c1ccc(C(C)(C)C)c(CI)c1.
What is the InChIKey of 1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene?
The InChIKey is SILRGJICHLQHDG-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H19I/c1-5-6-11-7-8-13(14(2,3)4)12(9-11)10-15/h5-9H,10H2,1-4H3/b6-5-.
What are the key properties of 1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene?
1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene has a molecular weight of 314.21 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 142038561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).